(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoic acid CAS Name: (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoic acid IUPAC Name: (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoic acid Traditional Name: (2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propionic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O3/c20-15-12-8-4-5-9-13(12)17-18-19(15)14(16(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1